N-[(Z)-[2-bromo-5-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzenesulfonamide
Formula:C20H15N2O3Br2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-bromo-5-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzenesulfonamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-bromo-5-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzenesulfonamide |
| MolecularFormula | C20H15N2O3Br2ClS |
| Smiles | O=S(c(cc1)ccc1Cl)(N/N=C\c(cc(cc1)OCc2cc(Br)ccc2)c1Br)=O |
| InChI | InChI=1S/C20H15Br2ClN2O3S/c21-16-3-1-2-14(10-16)13-28-18-6-9-20(22)15(11-18)12-24-25-29(26,27)19-7-4-17(23)5-8-19/h1-12,25H,13H2 |
| InChIK | NDXLUXMZJNRMBU-UHFFFAOYSA-N |
| TotalMolweight | 558.677 |
| Molweight | 558.677 |
| MonoisotopicMass | 555.885862 |
| CLogP | 5.6816 |
| CLogS | -5.661 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 334.02 |
| Relative PSA | 0.18427 |
| PolarSurfaceArea | 76.14 |
| Druglikeness | 0.24759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - N-[(Z)-[2-bromo-5-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzenesulfonamide | 2 - N-[(Z)-[2-bromo-5-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzenesulfonamide
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